Vitas-M small molecule compound
ethyl (4Z)-1-(4-methoxyphenyl)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160252
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H20N2O6 MW 408.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6/c1-4-30-22(26)20-14(2)23(16-9-11-18(29-3)12-10-16)21(25)19(20)13-15-5-7-17(8-6-15)24(27)28/h5-13H,4H2,1-3H3/b19-13-InChIKey
KRDBOPCHUCHBPF-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))c1ccc(cc1)OC
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)OC)C
ETHYL(4Z)1(4METHOXYPHENYL)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
ETHYL(4Z)1(4METHOXYPHENYL)2METHYL4(4NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC22H20N2O6c143022(26)2014(2)23(1691118(293)121016)21(25)19(20)13155717(8615)24(27)28h513H4H213H3b1913
MFCD03712051
ZINC000014009194
ZINC14009194
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